N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide

C14H14N4OS — CID 71938357

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide
SMILESCc1ncc(CN(C)C(=O)c2cccc3[nH]ncc23)s1
InChIInChI=1S/C14H14N4OS/c1-9-15-6-10(20-9)8-18(2)14(19)11-4-3-5-13-12(11)7-16-17-13/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeySFEQIVSJUIDMCL-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.60
Rot. Bonds3

About N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide (PubChem CID 71938357) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide
PubChem CID71938357
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide
SMILESCc1ncc(CN(C)C(=O)c2cccc3[nH]ncc23)s1
InChIInChI=1S/C14H14N4OS/c1-9-15-6-10(20-9)8-18(2)14(19)11-4-3-5-13-12(11)7-16-17-13/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeySFEQIVSJUIDMCL-UHFFFAOYSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide (CID 71938357) is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide is Cc1ncc(CN(C)C(=O)c2cccc3[nH]ncc23)s1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide?
The InChIKey is SFEQIVSJUIDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-15-6-10(20-9)8-18(2)14(19)11-4-3-5-13-12(11)7-16-17-13/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide?
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 71938357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).